2-amino-6-(2-ethoxyethoxy)benzoic acid

C11H15NO4 — CID 107341443

IUPAC2-amino-6-(2-ethoxyethoxy)benzoic acid
SMILESCCOCCOc1cccc(N)c1C(=O)O
InChIInChI=1S/C11H15NO4/c1-2-15-6-7-16-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeyNHBOLCOOUVFEOK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.38
Rot. Bonds6

About 2-amino-6-(2-ethoxyethoxy)benzoic acid

2-amino-6-(2-ethoxyethoxy)benzoic acid (PubChem CID 107341443) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-6-(2-ethoxyethoxy)benzoic acid
PubChem CID107341443
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-6-(2-ethoxyethoxy)benzoic acid
SMILESCCOCCOc1cccc(N)c1C(=O)O
InChIInChI=1S/C11H15NO4/c1-2-15-6-7-16-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeyNHBOLCOOUVFEOK-UHFFFAOYSA-N
XLogP1.38
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(2-ethoxyethoxy)benzoic acid
CID 114888580
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid
CID 107341705
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 107341681
2-amino-6-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 107341680
methyl 2-amino-3-(2-ethoxyethoxy)benzoate
CID 115546997
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319
2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
CID 107341512
2-(2,2,2-trifluoroethoxy)ethyl 2-amino-6-ethoxybenzoate
CID 81396529

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethoxyethoxy)benzoic acid?
The IUPAC name of 2-amino-6-(2-ethoxyethoxy)benzoic acid (CID 107341443) is 2-amino-6-(2-ethoxyethoxy)benzoic acid.
What is the SMILES notation for 2-amino-6-(2-ethoxyethoxy)benzoic acid?
The canonical SMILES for 2-amino-6-(2-ethoxyethoxy)benzoic acid is CCOCCOc1cccc(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-(2-ethoxyethoxy)benzoic acid?
The InChIKey is NHBOLCOOUVFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-15-6-7-16-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-6-(2-ethoxyethoxy)benzoic acid?
2-amino-6-(2-ethoxyethoxy)benzoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxyethoxy)benzoic acid is sourced from PubChem (CID 107341443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).